1-[2-(2-methylphenoxy)ethyl]-3-pentyl-benzimidazol-3-ium-2-amine

Systemtic Name: 1-[2-(2-methylphenoxy)ethyl]-3-pentyl-benzimidazol-3-ium-2-amine Openeye Name: 1-[2-(2-methylphenoxy)ethyl]-3-pentyl-benzimidazol-3-ium-2-amine CAS Name: 1-[2-(2-methylphenoxy)ethyl]-3-pentyl-2-benzimidazol-3-iumamine IUPAC Name: 1-[2-(2-methylphenoxy)ethyl]-3-pentylbenzimidazol-3-ium-2-amine Traditional Name: [1-amyl-3-[2-(2-methylphenoxy)ethyl]benzimidazol-1-ium-2-yl]amine Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1=C(N(C2=CC=CC=C21)CCOC3=CC=CC=C3C)N

Isomeric SMILES

CCCCC[N+]1=C(N(C2=CC=CC=C21)CCOC3=CC=CC=C3C)N

InChI

InChI=1S/C21H27N3O/c1-3-4-9-14-23-18-11-6-7-12-19(18)24(21(23)22)15-16-25-20-13-8-5-10-17(20)2/h5-8,10-13,22H,3-4,9,14-16H2,1-2H3/p+1